AF36746
221006-68-4 | 3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36746
ChemicalName
3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CasNumber
221006-68-4
MolecularFormula
C8H13BO3
MolecularWeight
167.998
MdlNumber
MFCD18311846
Smiles
OB(C1=CC(C)(C)CCC1=O)O
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AF36746
ChemicalName: 3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CasNumber: 221006-68-4
MolecularFormula: C8H13BO3
MolecularWeight: 167.998
MdlNumber: MFCD18311846
Smiles: OB(C1=CC(C)(C)CCC1=O)O
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AF36746
ChemicalName:
3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CasNumber:
221006-68-4
MolecularFormula:
C8H13BO3
MolecularWeight:
167.998
MdlNumber:
MFCD18311846
Smiles:
OB(C1=CC(C)(C)CCC1=O)O
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AF36747
ChemicalName: N-Ethyl-3-nitrobenzamide
CasNumber: 26819-11-4
MolecularFormula: C9H10N2O3
MolecularWeight: 194.1873
MdlNumber: MFCD01211875
Smiles: CCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AF36747
ChemicalName:
N-Ethyl-3-nitrobenzamide
CasNumber:
26819-11-4
MolecularFormula:
C9H10N2O3
MolecularWeight:
194.1873
MdlNumber:
MFCD01211875
Smiles:
CCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AF36748
ChemicalName: 2-(Propylsulfanyl)benzoic acid
CasNumber: 21213-10-5
MolecularFormula: C10H12O2S
MolecularWeight: 196.2661
MdlNumber: MFCD02729229
Smiles: CCCSc1ccccc1C(=O)O
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AF36748
ChemicalName:
2-(Propylsulfanyl)benzoic acid
CasNumber:
21213-10-5
MolecularFormula:
C10H12O2S
MolecularWeight:
196.2661
MdlNumber:
MFCD02729229
Smiles:
CCCSc1ccccc1C(=O)O
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: AF36749
ChemicalName: Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber: 222986-49-4
MolecularFormula: C13H12N2O2
MolecularWeight: 228.2466
MdlNumber: MFCD06802149
Smiles: COC(=O)c1ccc(cc1)c1ccc(nc1)N
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AF36749
ChemicalName:
Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber:
222986-49-4
MolecularFormula:
C13H12N2O2
MolecularWeight:
228.2466
MdlNumber:
MFCD06802149
Smiles:
COC(=O)c1ccc(cc1)c1ccc(nc1)N
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3